SCHEMBL1999376

SCHEMBL1999376

C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(N4CCOCC4)nc3)cc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 5/20 0.54
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TGFBR1 P36897 2/20 0.47
CYP2C9 P11712 1/20 0.47
DRD3 P35462 1/20 0.47
HTR6 P50406 1/20 0.47
GPR119 Q8TDV5 4/20 0.46
LMNA P02545 2/20 0.42
GALR3 O60755 1/20 0.42
HDAC1 Q13547 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NAMPT P43490 1/20 0.40
CCR9 P51686 1/20 0.40
ALDH1A1 P00352 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1995580 0.92 MLNR (0.64) MLNRTGFBR1GPR119LMNAHDAC1
SCHEMBL2849480 0.89 MLNR (0.58) MLNRGAAKDM4EMEN1KMT2A
SCHEMBL1996928 0.86 GPR119 (0.49) MLNRKDM4ETGFBR1GPR119
SCHEMBL1999378 0.82 MLNR (0.53) MLNRGAAKDM4EMEN1KMT2A
SCHEMBL1998342 0.82 MLNR (0.49) MLNRMEN1KMT2AGPR119NPC1
SCHEMBL1995197 0.82 MLNR (0.63) MLNRMEN1KMT2ATGFBR1GPR119
SCHEMBL2003276 0.82 MLNR (0.49) MLNRMEN1KMT2AGPR119NPC1
SCHEMBL13404687 0.81 MLNR (0.56) MLNRGPR119HDAC1
SCHEMBL2849659 0.81 MLNR (0.70) MLNRGAAKDM4EMEN1KMT2A
SCHEMBL2002043 0.79 MLNR (0.46) MLNRMEN1KMT2ATGFBR1GPR119

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964597-B2 Piperazinyl-sulfonamide derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
US-7964597-B2 Piperazinyl-sulfonamide derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
US-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD. 2010-10-07 US disclosed
WO-2009068552-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2009-06-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GPR68, GPR88, GIPR MLNR 12/4885GAA 585/4885KDM4E 4805/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.